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{
"id": "mp-1226245",
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"structure_string": "Cr2 Fe2 P4\n1.0\n3.068201 0.000000 0.000000\n0.000000 5.272956 0.000000\n0.000000 0.000000 5.897499\nCr Fe P\n2 2 4\ndirect\n0.500000 0.494640 0.050704 Cr\n0.500000 0.994640 0.949296 Cr\n0.000000 0.505867 0.445315 Fe\n0.000000 0.005867 0.554685 Fe\n0.500000 0.311033 0.676966 P\n0.500000 0.811033 0.323034 P\n0.000000 0.688460 0.809577 P\n0.000000 0.188460 0.190423 P\n",
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{
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"structure_string": "Cr2 Fe2 O8\n1.0\n2.794159 -4.199372 0.000000\n2.794159 4.199372 0.000000\n0.000000 0.000000 6.333305\nCr Fe O\n2 2 8\ndirect\n0.643742 0.356258 0.250000 Cr\n0.356258 0.643742 0.750000 Cr\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.264330 0.213325 0.250000 O\n0.213325 0.264330 0.750000 O\n0.767081 0.232919 0.041398 O\n0.767081 0.232919 0.458602 O\n0.232919 0.767081 0.541398 O\n0.232919 0.767081 0.958602 O\n0.786675 0.735670 0.250000 O\n0.735670 0.786675 0.750000 O\n",
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"formula_full": "Cr2 Fe2 O8",
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},
{
"id": "mp-1078458",
"created_at": "2022-09-04T14:39:05.494059Z",
"structure_string": "Cr2 Fe2 O6\n1.0\n-2.550251 -4.417238 -0.000034\n5.100632 -0.000060 0.000032\n2.550323 1.472412 4.604974\nCr Fe O\n2 2 6\ndirect\n0.653332 0.346666 0.959995 Cr\n0.346667 0.653336 0.040005 Cr\n0.856804 0.143192 0.570436 Fe\n0.143196 0.856810 0.429564 Fe\n0.446892 0.254788 0.246383 O\n0.054291 0.553125 0.246390 O\n0.745186 0.945689 0.246408 O\n0.553108 0.745202 0.753616 O\n0.945710 0.446878 0.753610 O\n0.254813 0.054315 0.753593 O\n",
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"elements": [
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"formula_full": "Cr2 Fe2 O6",
"formula_reduced": "CrFeO3",
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"updated_at": "2021-11-28T01:34:29.221000Z",
"spacegroup": 148
},
{
"id": "mp-1246373",
"created_at": "2022-09-04T14:42:50.293218Z",
"structure_string": "Cr2 Fe2 N4\n1.0\n2.750041 0.000000 0.000000\n-1.375020 2.381359 0.000000\n0.000000 0.000000 10.073346\nCr Fe N\n2 2 4\ndirect\n0.666642 0.333284 0.250000 Cr\n0.333358 0.666716 0.750000 Cr\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.666736 0.333472 0.872210 N\n0.333264 0.666528 0.127790 N\n0.333264 0.666528 0.372210 N\n0.666736 0.333472 0.627790 N\n",
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"volume": 65.96867970071794,
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"formula_full": "Cr2 Fe2 N4",
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"formula_anonymous": "ABC2",
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"spacegroup": 194
},
{
"id": "mp-1226385",
"created_at": "2022-09-04T14:39:49.132205Z",
"structure_string": "Cr2 Fe2 Ge4\n1.0\n4.710230 0.000000 0.000000\n0.000000 4.726466 0.000000\n0.000000 0.007175 4.738864\nCr Fe Ge\n2 2 4\ndirect\n0.636746 0.630896 0.890806 Cr\n0.136746 0.369104 0.109194 Cr\n0.364864 0.861850 0.384368 Fe\n0.864864 0.138150 0.615632 Fe\n0.342599 0.339803 0.589956 Ge\n0.842599 0.660197 0.410044 Ge\n0.655791 0.154179 0.096274 Ge\n0.155791 0.845821 0.903726 Ge\n",
"nsites": 8,
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"formula_full": "Cr2 Fe2 Ge4",
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"updated_at": "2021-11-28T01:34:30.002000Z",
"spacegroup": 4
},
{
"id": "mp-1226366",
"created_at": "2022-09-04T14:39:47.669017Z",
"structure_string": "Cr2 Fe2 Co2 O8\n1.0\n-3.016982 3.043195 4.237544\n3.016982 -3.043195 4.237544\n3.016982 3.043195 -4.237544\nCr Fe Co O\n2 2 2 8\ndirect\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.377102 0.127102 0.250000 Fe\n0.622898 0.872898 0.750000 Fe\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.754248 0.734885 0.480637 O\n0.754248 0.273611 0.019363 O\n0.235884 0.741484 0.494401 O\n0.747083 0.741484 0.005599 O\n0.245752 0.265115 0.519363 O\n0.245752 0.726389 0.980637 O\n0.764116 0.258516 0.505599 O\n0.252917 0.258516 0.994401 O\n",
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"elements": [
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],
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"density": 4.9247625618436714,
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"volume": 155.62404981301407,
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"formula_full": "Cr2 Fe2 Co2 O8",
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"formula_anonymous": "ABCD4",
"energy": -115.07816214,
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"spacegroup": 74
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{
"id": "mp-1012640",
"created_at": "2022-09-04T14:43:18.238597Z",
"structure_string": "Cr2 Fe2 Co2 Ni2\n1.0\n4.012566 0.000000 0.000000\n0.000000 4.370470 0.000000\n0.000000 0.032491 5.040126\nCr Fe Co Ni\n2 2 2 2\ndirect\n0.000000 0.302737 0.626276 Cr\n0.500000 0.629626 0.123875 Cr\n0.500000 0.136183 0.381994 Fe\n0.000000 0.793510 0.376714 Fe\n0.500000 0.637430 0.630847 Co\n0.500000 0.130749 0.879947 Co\n0.000000 0.802215 0.874211 Ni\n0.000000 0.296887 0.124050 Ni\n",
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],
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"formula_full": "Cr2 Fe2 Co2 Ni2",
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{
"id": "mp-551086",
"created_at": "2022-09-04T14:41:14.581797Z",
"structure_string": "Cr2 Fe2 Bi4 O12\n1.0\n-1.604710 -4.578187 2.821893\n3.246356 -4.577854 0.000122\n4.954609 0.074084 8.517711\nCr Fe Bi O\n2 2 4 12\ndirect\n0.887105 0.887111 0.338742 Cr\n0.387650 0.387639 0.837061 Cr\n0.134814 0.134803 0.595628 Fe\n0.635176 0.635188 0.094518 Fe\n0.745890 0.745848 0.762248 Bi\n0.245941 0.245924 0.262083 Bi\n0.997204 0.997243 0.008257 Bi\n0.497463 0.497520 0.507410 Bi\n0.001474 0.452408 0.945943 O\n0.501205 0.950497 0.445059 O\n0.600194 0.001464 0.945965 O\n0.103292 0.501195 0.445076 O\n0.452387 0.600218 0.945949 O\n0.950457 0.103329 0.445060 O\n0.350393 0.203180 0.697199 O\n0.847939 0.705010 0.197149 O\n0.749252 0.350355 0.697202 O\n0.249939 0.847900 0.197159 O\n0.203213 0.749234 0.697164 O\n0.705015 0.249933 0.197129 O\n",
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{
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"structure_string": "Cr2 Fe2 B4\n1.0\n2.937635 0.000000 0.000000\n0.000000 4.112914 0.000000\n0.000000 0.000000 5.491280\nCr Fe B\n2 2 4\ndirect\n0.000000 0.126061 0.679685 Cr\n0.000000 0.873939 0.179685 Cr\n0.500000 0.364237 0.321138 Fe\n0.500000 0.635763 0.821138 Fe\n0.000000 0.628382 0.534369 B\n0.000000 0.371618 0.034369 B\n0.500000 0.856210 0.464809 B\n0.500000 0.143790 0.964809 B\n",
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{
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"structure_string": "Cr2 Fe2 As4\n1.0\n3.465307 0.000000 0.000000\n0.000000 5.472652 0.000000\n0.000000 0.000000 6.091184\nCr Fe As\n2 2 4\ndirect\n0.500000 0.744302 0.801869 Cr\n0.000000 0.255698 0.301869 Cr\n0.500000 0.247282 0.695376 Fe\n0.000000 0.752718 0.195376 Fe\n0.500000 0.047833 0.081475 As\n0.500000 0.557209 0.421281 As\n0.000000 0.442791 0.921281 As\n0.000000 0.952167 0.581475 As\n",
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{
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"created_at": "2022-09-04T14:39:38.202593Z",
"structure_string": "Cr2 Fe1 Te4\n1.0\n2.035369 6.750514 0.000000\n-2.035369 6.750514 0.000000\n0.000000 3.561210 5.961214\nCr Fe Te\n2 1 4\ndirect\n0.748170 0.748170 0.264742 Cr\n0.251830 0.251830 0.735258 Cr\n0.000000 0.000000 0.000000 Fe\n0.879369 0.879369 0.457246 Te\n0.120631 0.120631 0.542754 Te\n0.626236 0.626236 0.038063 Te\n0.373764 0.373764 0.961937 Te\n",
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{
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"structure_string": "Cr2 Fe1 Se4\n1.0\n1.846435 6.497617 0.000000\n-1.846435 6.497617 0.000000\n0.000000 3.117255 5.575465\nCr Fe Se\n2 1 4\ndirect\n0.744334 0.744334 0.239342 Cr\n0.255666 0.255666 0.760658 Cr\n0.000000 0.000000 0.000000 Fe\n0.369705 0.369705 0.295224 Se\n0.630295 0.630295 0.704776 Se\n0.877970 0.877970 0.791352 Se\n0.122030 0.122030 0.208648 Se\n",
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]
}